tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone

C118H112I2N34O8 — CID 161248188

About tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone

tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone (PubChem CID 161248188) has the molecular formula C118H112I2N34O8 and a molecular weight of 2388.23 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone.

Molecular Properties

• Compound Name: tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone
• PubChem CID: 161248188
• Molecular Formula: C118H112I2N34O8
• Molecular Weight: 2388.23 g/mol
• Exact Mass: 2386.75
• IUPAC Name: tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone
• SMILES: CC(=O)n1ccc(-c2ccncc2)n1.CC(C)(C)OC(=O)Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccncc2)n1.CC(C)(C)OC(=O)Cn1cc(I)c(-c2ccncc2)n1.Ic1cn[nH]c1-c1ccncc1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccncc2)n1)N1CCc2n[nH]nc2C1.O=C(O)Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccncc2)n1.c1cc(-c2ccn[nH]2)ccn1
• InChI: InChI=1S/C28H26N10O.C27H28N6O2.C23H20N6O2.C14H16IN3O2.C10H9N3O.C8H6IN3.C8H7N3/c39-26(37-10-7-24-25(16-37)34-36-33-24)17-38-15-23(27(35-38)18-5-8-29-9-6-18)21-13-30-28(31-14-21)32-22-11-19-3-1-2-4-20(19)12-22;1-27(2,3)35-24(34)17-33-16-23(25(32-33)18-8-10-28-11-9-18)21-14-29-26(30-15-21)31-22-12-19-6-4-5-7-20(19)13-22;30-21(31)14-29-13-20(22(28-29)15-5-7-24-8-6-15)18-11-25-23(26-12-18)27-19-9-16-3-1-2-4-17(16)10-19;1-14(2,3)20-12(19)9-18-8-11(15)13(17-18)10-4-6-16-7-5-10;1-8(14)13-7-4-10(12-13)9-2-5-11-6-3-9;9-7-5-11-12-8(7)6-1-3-10-4-2-6;1-4-9-5-2-7(1)8-3-6-10-11-8/h1-6,8-9,13-15,22H,7,10-12,16-17H2,(H,30,31,32)(H,33,34,36);4-11,14-16,22H,12-13,17H2,1-3H3,(H,29,30,31);1-8,11-13,19H,9-10,14H2,(H,30,31)(H,25,26,27);4-8H,9H2,1-3H3;2-7H,1H3;1-5H,(H,11,12);1-6H,(H,10,11)
• InChIKey: VAXJLQSEWFFWAW-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 518.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2388.23
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone?

The IUPAC name of tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone (CID 161248188) is tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone.

What is the SMILES notation for tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone?

The canonical SMILES for tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone is CC(=O)n1ccc(-c2ccncc2)n1.CC(C)(C)OC(=O)Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccncc2)n1.CC(C)(C)OC(=O)Cn1cc(I)c(-c2ccncc2)n1.Ic1cn[nH]c1-c1ccncc1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccncc2)n1)N1CCc2n[nH]nc2C1.O=C(O)Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(-c2ccncc2)n1.c1cc(-c2ccn[nH]2)ccn1.

What is the InChIKey of tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone?

The InChIKey is VAXJLQSEWFFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N10O.C27H28N6O2.C23H20N6O2.C14H16IN3O2.C10H9N3O.C8H6IN3.C8H7N3/c39-26(37-10-7-24-25(16-37)34-36-33-24)17-38-15-23(27(35-38)18-5-8-29-9-6-18)21-13-30-28(31-14-21)32-22-11-19-3-1-2-4-20(19)12-22;1-27(2,3)35-24(34)17-33-16-23(25(32-33)18-8-10-28-11-9-18)21-14-29-26(30-15-21)31-22-12-19-6-4-5-7-20(19)13-22;30-21(31)14-29-13-20(22(28-29)15-5-7-24-8-6-15)18-11-25-23(26-12-18)27-19-9-16-3-1-2-4-17(16)10-19;1-14(2,3)20-12(19)9-18-8-11(15)13(17-18)10-4-6-16-7-5-10;1-8(14)13-7-4-10(12-13)9-2-5-11-6-3-9;9-7-5-11-12-8(7)6-1-3-10-4-2-6;1-4-9-5-2-7(1)8-3-6-10-11-8/h1-6,8-9,13-15,22H,7,10-12,16-17H2,(H,30,31,32)(H,33,34,36);4-11,14-16,22H,12-13,17H2,1-3H3,(H,29,30,31);1-8,11-13,19H,9-10,14H2,(H,30,31)(H,25,26,27);4-8H,9H2,1-3H3;2-7H,1H3;1-5H,(H,11,12);1-6H,(H,10,11).

What are the key properties of tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone?

tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone has a molecular weight of 2388.23 g/mol, XLogP of 18.12, 24 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetate;tert-butyl 2-(4-iodo-3-pyridin-4-ylpyrazol-1-yl)acetate;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]acetic acid;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-pyridin-4-ylpyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;4-(4-iodo-1H-pyrazol-5-yl)pyridine;4-(1H-pyrazol-5-yl)pyridine;1-(3-pyridin-4-ylpyrazol-1-yl)ethanone is sourced from PubChem (CID 161248188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).